Synthesis, Spectral, and Single Crystal XRD Studies of Novel Terpyridine Derivatives of Benzofuran-2-carbaldehyde and their Cu(II) Complex

2021 ◽  
Vol 47 (12) ◽  
pp. 909-914
Author(s):  
P. N. Patel ◽  
D. H. Desai ◽  
N. C. Patel
Keyword(s):  
Single Crystal ◽  
Single Crystal Xrd ◽  
Xrd Studies ◽  
Derivatives Of

scholarly journals Hexaborate(2−) and Dodecaborate(6−) Anions as Ligands to Zinc(II) Centres: Self-Assembly and Single-Crystal XRD Characterization of [Zn{κ3O-B6O7(OH)6}(κ3N-dien)]·0.5H2O (dien = NH(CH2–CH2NH2)2), (NH4)2[Zn{κ2O-B6O7(OH)6}2 (H2O)2]·2H2O and (1,3-pnH2)3[(κ1N-H3N{CH2}3NH2) Zn{κ3O-B12O18(OH)6}]2·14H2O (1,3-pn = 1,3-diaminopropane)

Inorganics ◽  
2019 ◽  
Vol 7 (4) ◽  
pp. 44 ◽  
Author(s):  
Mohammed Altahan ◽  
Michael Beckett ◽  
Simon Coles ◽  
Peter Horton
Keyword(s):  
Aqueous Solutions ◽  
Single Crystal ◽  
Self Assembly ◽  
Single Crystal Xrd ◽  
Bidentate Ligands ◽  
Amine Complex ◽  
Xrd Studies

Two zinc(II) hexaborate(2−) complexes, [Zn{κ3O-B6O7(OH)6}(κ3N-dien)]·0.5H2O (dien = NH(CH2CH2NH2)2) (1) and (NH4)2[Zn{κ2O-B6O7(OH)6}2(H2O)2]·2H2O (2), and a zinc(II) dodecaborate(6−) complex, (1,3-pnH2)3[(κ1N-H3N{CH2}3NH2)Zn{κ3O-B12O18(OH)6}]2·14H2O (1,3-pn = 1,3-diaminopropane) (3), have been synthesized and characterized by single-crystal XRD studies. The complexes crystallized through self-assembly processes, from aqueous solutions containing 10:1 ratios of B(OH)3 and appropriate Zn(II) amine complex: [Zn(dien)2](OH)2, [Zn(NH3)4](OH)2, and [Zn(pn)3](OH)2. The hexaborate(2−) anions in 1 and 2 are coordinated to octahedral Zn(II) centres as tridentate (1) or bidentate ligands (2) and the dodecaborate(6−) ligand in 3 is tridentate to a tetrahedral Zn(II) centre.

scholarly journals Crystal Structure of Moganite and Its Anisotropic Atomic Displacement Parameters Determined by Synchrotron X-ray Diffraction and X-ray/Neutron Pair Distribution Function Analyses

Minerals ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 272
Author(s):  
Seungyeol Lee ◽  
Huifang Xu ◽  
Hongwu Xu ◽  
Joerg Neuefeind
Keyword(s):  
Crystal Structure ◽  
Distribution Function ◽  
Single Crystal ◽  
Pair Distribution Function ◽  
Atomic Displacement ◽  
Single Crystal Xrd ◽  
X Ray Diffraction ◽  
X Ray ◽  
Neutron Pair ◽  
Atomic Displacement Parameters

The crystal structure of moganite from the Mogán formation on Gran Canaria has been re-investigated using high-resolution synchrotron X-ray diffraction (XRD) and X-ray/neutron pair distribution function (PDF) analyses. Our study for the first time reports the anisotropic atomic displacement parameters (ADPs) of a natural moganite. Rietveld analysis of synchrotron XRD data determined the crystal structure of moganite with the space group I2/a. The refined unit-cell parameters are a = 8.7363(8), b = 4.8688(5), c = 10.7203(9) Å, and β = 90.212(4)°. The ADPs of Si and O in moganite were obtained from X-ray and neutron PDF analyses. The shapes and orientations of the anisotropic ellipsoids determined from X-ray and neutron measurements are similar. The anisotropic ellipsoids for O extend along planes perpendicular to the Si-Si axis of corner-sharing SiO4 tetrahedra, suggesting precession-like movement. Neutron PDF result confirms the occurrence of OH over some of the tetrahedral sites. We postulate that moganite nanomineral is stable with respect to quartz in hypersaline water. The ADPs of moganite show a similar trend as those of quartz determined by single-crystal XRD. In short, the combined methods can provide high-quality structural parameters of moganite nanomineral, including its ADPs and extra OH position at the surface. This approach can be used as an alternative means for solving the structures of crystals that are not large enough for single-crystal XRD measurements, such as fine-grained and nanocrystalline minerals formed in various geological environments.

Towards the Synthesis of Imidazopyridine Derivatives: Characterization, Single Crystal XRD, Hirshfeld Analysis, and Biological Evaluation

2021 ◽  
Vol 6 (4) ◽  
pp. 843-851
Author(s):  
Sharanya Kuthyala ◽  
Sareen Sheikh ◽  
G. K. Nagaraja ◽  
B. R. Kannika ◽  
S. Madan Kumar ◽  
...  
Keyword(s):  
Single Crystal ◽  
Biological Evaluation ◽  
Single Crystal Xrd ◽  
Hirshfeld Analysis ◽  
Imidazopyridine Derivatives

Structural characterization of cevimeline and its trans -impurity by single crystal XRD

2016 ◽  
Vol 118 ◽  
pp. 404-409 ◽  
Author(s):  
Dmitrijs Stepanovs ◽  
Zenta Tetere ◽  
Irisa Rāviņa ◽  
Viktors Kumpiņš ◽  
Daina Zicāne ◽  
...  
Keyword(s):  
Single Crystal ◽  
Structural Characterization ◽  
Single Crystal Xrd

Synthesis and characterization of low-OH fluor-chlorapatite: A single-crystal XRD and NMR spectroscopic study

2008 ◽  
Vol 93 (1) ◽  
pp. 210-216 ◽  
Author(s):  
F. M. McCubbin ◽  
H. E. Mason ◽  
H. Park ◽  
B. L. Phillips ◽  
J. B. Parise ◽  
...  
Keyword(s):  
Single Crystal ◽  
Spectroscopic Study ◽  
Synthesis And Characterization ◽  
Single Crystal Xrd

scholarly journals (R)-Baclofen [(R)-4-amino-3-(4-chlorophenyl)butanoic acid]

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Feodor Belov ◽  
Alexander Villinger ◽  
Jan von Langermann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Title Compound ◽  
Single Crystal Xrd ◽  
Butanoic Acid ◽  
Orthorhombic Crystal ◽  
Orthorhombic Crystal Structure ◽  
Space Group ◽  
Structure Space

This article provides the first single-crystal XRD-based structure of enantiopure (R)-baclofen (form C), C10H12ClNO2, without any co-crystallized substances. In the enantiopure title compound, the molecules arrange themselves in an orthorhombic crystal structure (space group P212121). In the crystal, strong hydrogen bonds and C—H ... Cl bonds interconnect the zwitterionic molecules.

Single-crystal XRD and solid-state NMR structural resolution of a layered fluorinated gallium phosphate: RbGa3(PO4)2(HPO4)F4·C5N2H16·2H2O (MIL-145)

2013 ◽  
Vol 42 (2) ◽  
pp. 422-431 ◽  
Author(s):  
Charlotte Martineau ◽  
Thierry Loiseau ◽  
Lionel Beitone ◽  
Gérard Férey ◽  
Boris Bouchevreau ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Solid State Nmr ◽  
Single Crystal Xrd ◽  
Gallium Phosphate
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